Th3Bi2Sb
Alexandria ALEXAlex-ID: agm003429892 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_417_spg8
Th2BiSb Th2Bi Th3Bi4
2022-02-14 05:43:09.960722
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003429892).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003429892
data_agm003429892
_cell_length_a 7.90794
_cell_length_b 7.91588
_cell_length_c 7.91588
_cell_angle_alpha 120.15178
_cell_angle_beta 99.59906
_cell_angle_gamma 99.59906
_cell_volume 403.82832
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Th1 Th 0.00524 0.18598 0.34470 1.00000
Th2 Th 0.50524 0.34470 0.18598 1.00000
Th3 Th 0.00000 0.50000 0.00000 1.00000
Th4 Th 0.99476 0.81402 0.65530 1.00000
Th5 Th 0.50000 0.00000 0.50000 1.00000
Th6 Th 0.49476 0.65530 0.81402 1.00000
Bi1 Bi 0.25000 0.91824 0.08176 1.00000
Bi2 Bi 0.25000 0.24419 0.75581 1.00000
Bi3 Bi 0.75000 0.08176 0.91824 1.00000
Bi4 Bi 0.75000 0.75581 0.24419 1.00000
Sb1 Sb 0.25000 0.58799 0.41201 1.00000
Sb2 Sb 0.75000 0.41201 0.58799 1.00000
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